SCHEMBL30794869

SCHEMBL30794869

COc1cc(N2CCOCC2)cc(C)c1NC(=O)CCCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALOX15 P16050 1/20 0.47
ALDH1A1 P00352 4/20 0.46
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 2/20 0.43
PKM P14618 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 2/20 0.40
LMNA P02545 1/20 0.40
PSMB5 P28074 1/20 0.40
MAPK1 P28482 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2434903 1.00 MAPT (0.48) MAPTL3MBTL1KDM4EALOX15ALDH1A1
SCHEMBL30794395 0.94 MAPT (0.45) MAPTL3MBTL1KDM4EALOX15ALDH1A1
SCHEMBL2434581 0.94 MAPT (0.45) MAPTL3MBTL1KDM4EALOX15ALDH1A1
SCHEMBL2438451 0.90 ALDH1A1 (0.48) MAPTL3MBTL1KDM4EALOX15ALDH1A1
SCHEMBL2435116 0.88 CNR1 (0.52) MAPTL3MBTL1KDM4EALOX15ALDH1A1
SCHEMBL30795862 0.88 CNR1 (0.52) MAPTL3MBTL1KDM4EALOX15ALDH1A1
SCHEMBL2434625 0.84 ALDH1A1 (0.50) MAPTL3MBTL1KDM4EALOX15ALDH1A1
SCHEMBL2435718 0.83 MAPT (0.42) MAPTL3MBTL1KDM4EALOX15ALDH1A1
SCHEMBL30795157 0.83 MAPT (0.42) MAPTL3MBTL1KDM4EALOX15ALDH1A1
SCHEMBL2439684 0.81 KCNQ2 (0.60) MAPTL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 EP disclosed
EP-4580679-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS Biohaven Therapeutics Ltd. (VG) 2025-07-09 EP disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed